2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine

C16H33N3 — CID 61387313

IUPAC2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-16(2,3)17-9-14-18-12-7-15(8-13-18)19-10-5-4-6-11-19/h15,17H,4-14H2,1-3H3
InChIKeyXAOQGYFBMQRKLN-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine

2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine (PubChem CID 61387313) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine
PubChem CID61387313
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-16(2,3)17-9-14-18-12-7-15(8-13-18)19-10-5-4-6-11-19/h15,17H,4-14H2,1-3H3
InChIKeyXAOQGYFBMQRKLN-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylpropan-2-amine
CID 79931860
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 64679336
N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanamine
CID 62574223
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-piperidin-1-ylpiperidine
CID 56822093
N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62561801
N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62561653
2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 65248275
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780
2-methyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propan-2-amine
CID 79935975
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 23592356
N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070541

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine (CID 61387313) is 2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine is CC(C)(C)NCCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine?
The InChIKey is XAOQGYFBMQRKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-16(2,3)17-9-14-18-12-7-15(8-13-18)19-10-5-4-6-11-19/h15,17H,4-14H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 61387313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).